Alcohols

Simulated Tempering-Enhanced Umbrella Sampling Improves Convergence of Free Energy Calculations of Drug Membrane Permeation
Molecular dynamics simulations have been widely used to study solute permeation across biological membranes. The potential of mean …
Carla F. Sousa, Robert Becker, Claus-Michael Lehr, Olga V. Kalinina, Jochen Hub
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Simulated Tempering-Enhanced Umbrella Sampling Improves Convergence of Free Energy Calculations of Drug Membrane Permeation
Comment on “Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory”
Jochen Hub, Bert L. de Groot
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Comment on “Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory”